2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide

C17H16N2O4S — CID 617178

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-6-8-13(9-7-12)18-24(22,23)11-10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-9,18H,10-11H2,1H3
InChIKeySOVMNUXPXVZSOS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.03
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide (PubChem CID 617178) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
PubChem CID617178
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-6-8-13(9-7-12)18-24(22,23)11-10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-9,18H,10-11H2,1H3
InChIKeySOVMNUXPXVZSOS-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide
CID 110356730
N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
CID 55758157
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide (CID 617178) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide is Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide?
The InChIKey is SOVMNUXPXVZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-6-8-13(9-7-12)18-24(22,23)11-10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-9,18H,10-11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).